SCHEMBL5260776

SCHEMBL5260776

O=C(O)NCCc1ccc(Cl)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.48
PLAAT5 Q96KN8 2/20 0.48
PLAAT2 Q9NWW9 2/20 0.48
PLAAT4 Q9UL19 2/20 0.48
PYGL P06737 1/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
HSD17B2 P37059 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CNR1 P21554 3/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17646483 0.87 PLAAT3 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4PYGL
SCHEMBL11207410 0.85 PLAAT3 (0.62) PLAAT3PLAAT5PLAAT2PLAAT4PYGL
SCHEMBL27944339 0.82 PLK4 (0.55) CA1CA2ALDH1A1KMT2AHPGD
SCHEMBL6705898 0.81 PLAAT3 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL6705572 0.79 PLAAT3 (0.43) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL17646473 0.79 CNR1 (0.46) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL4180370 0.79 CA2 (0.49) CA1CA2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL15319511 0.77 CA12 (0.56) CA1CA2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4582082 0.75 TAAR1 (0.65) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL250873 0.75 PLAAT3 (0.58) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817297-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES Pfizer Products Inc. (US) 2007-08-15 EP disclosed
WO-2006056854-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. (US) 2006-06-01 WO disclosed